Geometry & MOs

Info

ID:

214889

PubChem CID:

85083805

Reduced:

O6C17H17 (2)

Stoich.:

A6B17C17 (2)

Weight, g/mol:

634.311498

ΔHf, kcal/mol:

-428.33

Dipole, Da:

4.15

IP(EA), eV:

 -8.74(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[2-[[5-[[amino(phenylmethoxycarbonylamino)methylidene]amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-2,3-dihydroindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)OCC6=CC=CC=C6)O

DOS

IR

Vibrations